3-phenylpropyl 3-cyano-4-oxidanylidene-2-(2-pyrrolidin-1-ylethylamino)quinolizine-1-carboxylate

Systemtic Name: 3-phenylpropyl 3-cyano-4-oxidanylidene-2-(2-pyrrolidin-1-ylethylamino)quinolizine-1-carboxylate Openeye Name: 3-phenylpropyl 3-cyano-4-oxo-2-(2-pyrrolidin-1-ylethylamino)quinolizine-1-carboxylate CAS Name: 3-cyano-4-oxo-2-[2-(1-pyrrolidinyl)ethylamino]-1-quinolizinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-cyano-4-oxo-2-(2-pyrrolidin-1-ylethylamino)quinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(2-pyrrolidinoethylamino)quinolizine-1-carboxylic acid 3-phenylpropyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC2=C(C(=O)N3C=CC=CC3=C2C(=O)OCCCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCN(C1)CCNC2=C(C(=O)N3C=CC=CC3=C2C(=O)OCCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H28N4O3/c27-19-21-24(28-13-17-29-14-6-7-15-29)23(22-12-4-5-16-30(22)25(21)31)26(32)33-18-8-11-20-9-2-1-3-10-20/h1-5,9-10,12,16,28H,6-8,11,13-15,17-18H2